REMARK  Name = BDB048120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.415  -1.955  -0.687  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.030  -0.761  -1.182  0.00  0.00    -0.476 OA
BRANCH   2   6
ATOM      3  C   LIG    1        4.274   0.654   0.928  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        3.575  -0.487   1.313  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1        2.508  -0.988   0.650  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        2.118  -0.322  -0.456  0.00  0.00    +0.215 A 
ATOM      7  C   LIG    1        2.743   0.821  -0.925  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        3.838   1.314  -0.222  0.00  0.00    +0.010 A 
BRANCH   3   9
ATOM      9  C   LIG    1        5.465   1.144   1.717  0.00  0.00    +0.079 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.834   0.862   1.068  0.00  0.00    +0.230 C 
BRANCH  10  12
ATOM     11  C   LIG    1        8.325   1.884  -0.475  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1        6.973   1.702  -0.078  0.00  0.00    -0.368 OA
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        6.986  -0.653   0.870  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1        6.912  -1.491   1.758  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1        7.205  -1.035  -0.402  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1        7.205  -2.014  -0.372  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.569  -1.676   0.455  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.828  -0.971  -0.017  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -2.983  -1.672  -0.424  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -3.057  -3.174  -0.394  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.110  -0.948  -0.850  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -4.093   0.449  -0.871  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -2.945   1.140  -0.506  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -1.822   0.435  -0.074  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.164   1.192  -1.312  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -6.395   0.916  -0.761  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -6.590   0.727   0.609  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1       -7.875   0.486   1.089  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1       -8.126   0.240   2.774  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -8.964   0.448   0.217  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -8.768   0.659  -1.148  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -7.484   0.900  -1.636  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11